Computational study of the water-driven graphene wrinkle life-cycle towards applications in flexible electronics J Kashyap, EH Yang, D Datta Scientific reports 10 (1), 11315, 2020 | 14 | 2020 |
Drug repurposing for SARS-COV-2: A high-throughput molecular docking, molecular dynamics, machine learning, & ab-initio study J Kashyap, D Datta arXiv preprint arXiv:2201.00287, 2022 | 13* | 2022 |
The inherent behavior of graphene flakes in water: A molecular dynamics study P Solanky, V Sharma, K Ghatak, J Kashyap, D Datta Computational Materials Science 162, 140-147, 2019 | 13 | 2019 |
Scalable Inhibitors of the Nsp3–Nsp4 Coupling in SARS-CoV-2 AR Azizogli, V Pai, F Coppola, R Jafari, JB Dodd-o, R Harish, ... ACS omega 8 (6), 5349-5360, 2023 | 5 | 2023 |
Characterizing the morphology of the different grown homo/hetero tmd structures by controlling parameters–a multiscale computational approach J Kashyap, K Ghatak, D Datta Electrochemical Society Meeting Abstracts 235, 806-806, 2019 | 3 | 2019 |
Growth Physics of MoS2 Layer on the MoS2 Surface: A Monte Carlo Approach K Ghatak, D Datta, J Kashyap, KG Team APS March Meeting Abstracts 2019, F13. 009, 2019 | 3 | 2019 |
Design and simulation of a novel 3D MEMS fabrication/micro cutting facility by thermally actuated MEMS device J Kashyap, S Nagesh, K Narayan, PK Pattnaik TENCON 2015-2015 IEEE Region 10 Conference, 1-4, 2015 | 3 | 2015 |
Rational Design of De Novo CCL2 Binding Peptides ED Aguas, AR Azizogli, J Kashyap, J Dodd‐o, Z Siddiqui, J Sy, V Kumar Advanced theory and simulations 6 (2), 2200810, 2023 | 2 | 2023 |
Surface Corrugations and Layer Thickness Dependent Frictional Behavior of MoS2 – A Computational Study J Kashyap, D Datta Electrochemical Society Meeting Abstracts 240, 1469-1469, 2021 | 1 | 2021 |
Comprehensive understanding of water-driven graphene wrinkle life-cycle towards applications in flexible electronics: A computational study J Kashyap, EH Yang, D Datta arXiv preprint arXiv:2001.00614, 2020 | 1 | 2020 |
Engineering frictional characteristics of MoS2 structure by tuning thickness and morphology - An atomic, electronic structure, and exciton analysis J Kashyap, J Torsiello, K Yoshiki, D Datta | | 2022 |
Modeling of two-dimensional and biological materials towards diverse nano-systems applications J Kashyap | | 2022 |